Summary

IMPPAT Phytochemical identifier: IMPHY012173

Phytochemical name: 1,3-Dioxolane-4-methanol

Synonymous chemical names:
1,3-dioxolane-4-methanol

External chemical identifiers:
CID:21618, FDASRS:Q45U46I791, SureChEMBL:SCHEMBL24737, MolPort-005-940-711

---

Chemical structure information

SMILES:
OCC1COCO1

InChI:
InChI=1S/C4H8O3/c5-1-4-2-6-3-7-4/h4-5H,1-3H2

InChIKey:
BOHGAOWOIJMTPZ-UHFFFAOYSA-N

DeepSMILES:
OCCCOCO5

Functional groups:
C1COCO1, CO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1COCO1

Scaffold Graph/Node level:
C1COCO1

Scaffold Graph level:
C1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dioxolanes

ClassyFire Subclass: 1,3-dioxolanes

NP-Likeness score: 1.456

---

Chemical structure download